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Chemical ID: 6585874

CC(C(=O)Nc1ccc(cc1)NC(=O)C)OC(=O)c2cc3ccccc3cc2OC

Chemical ID:

6585874

Name [?]:

1-[(4-acetamidophenyl)carbamoyl]ethyl 3-methoxynaphthalene-2-carboxylate

SMILES [?]:

CC(C(=O)Nc1ccc(cc1)NC(=O)C)OC(=O)c2cc3ccccc3cc2OC

InChi [?]:

InChI=1/C23H22N2O5/c1-14(22(27)25-19-10-8-18(9-11-19)24-15(2)26)30-23(28)20-12-16-6-4-5-7-17(16)13-21(20)29-3/h4-14H,1-3H3,(H,24,26)(H,25,27)

InChi Info:

AuxInfo=1/1/N:1,15,30,23,24,22,25,8,10,7,11,20,27,2,13,21,26,9,6,19,28,3,17,12,5,14,4,18,29,16/E:(8,9)(10,11)/rA:30cCCCONCCCCCCNCOCOCOCCCCCCCCCCOC/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s9;s12;d13;s13;s2;s16;d17;s17;s19;d20;s21;d22;s23;d24;s21s25;d26;d19s27;s28;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₂N₂O₅
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	1

ZAP Information [?]

Total:	10.004
Area:	644.326
Solvation:	-6.10415
Coulombic:	-66.9276

Bond Count [?]

All:	32
Single:	21
Double:	11
Rotors:	9
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	406.431
H-Bond Donors:	2
H-Bond Acceptors:	7
XLogP:	3.23
LogP (Chemaxon):	3.29

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value